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Ir C^N families
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D-MPNN
Coordination Complexes
9414 complexes in database
9414
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4834
Ru
2220
Au
1431
Ir
339
Rh
337
Os
253
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#8014
Au(1)
donors: {"O": 1, "N": 1, "P": 2, "Cl": 1}
O=C(NCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(P(c2ccccc2)c2ccccc2)cc1.[Cl-]
2 meas.
3D
#8013
Au(1)
donors: {"O": 3, "N": 2}
CCO[C@H]1[C@H](OCC)[N+](c2c(C)cc(C)cc2C)=[C-]N1c1c(C)cc(C)cc1C.COc1cc[c-]cc1
4 meas.
3D
#8012
Au(1)
donors: {"O": 2, "N": 2, "Cl": 1}
COc1ccc(Cn2[c-][n+](Cc3ccc(OC)cc3)c(-c3ccc(C(C)C)cc3)c2-c2ccc(C(C)C)cc2)cc1.[Cl-]
2 meas.
3D
#8011
Ir(3)
donors: {"O": 1, "N": 2, "P": 1, "Cl": 1}
Cc1c(C)c(C)[c-](C)c1C.O=C([N-]CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccn1.[Cl-]
1 meas.
3D
#8010
Au(1)
donors: {"O": 4, "N": 4, "S": 2}
COc1ccc(N2CCN(c3ccc(OC)cc3)C2=S)cc1.COc1ccc(N2CCN(c3ccc(OC)cc3)C2=S)cc1
12 meas.
3D
#8009
Au(1)
donors: {"N": 5, "O": 2, "F": 1, "Cl": 1}
CCn1[c-][n+](CC)cc1.[C-]#CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC
3 meas.
3D
#8008
Au(1)
donors: {"N": 8, "P": 4}
Cn1ccnc1P(CCP(c1ccccc1)c1nccn1C)c1ccccc1.Cn1ccnc1P(CCP(c1ccccc1)c1nccn1C)c1ccccc1
5 meas.
3D
#8007
Au(3)
donors: {"N": 2}
CC(C)(C)c1c[c-]c(-c2[c-]cc(C(C)(C)C)cc2)cc1.Cc1ccnc(-c2cc(C)ccn2)c1
4 meas.
3D
#8006
Au(1)
donors: {"O": 1, "N": 2, "Cl": 1}
COc1cc(C(c2ccccc2)c2ccccc2)c(-n2[c-][n+]3c(ccc4ccccc43)c2)c(C(c2ccccc2)c2ccccc2)c1.[Cl-]
2 meas.
3D
#8005
Au(1)
donors: {"O": 11, "S": 6, "N": 1, "P": 1}
O=S(=O)(NC(=S)[S-])c1ccccc1.O=S(=O)([O][Na])c1cccc(P(c2cccc(S(=O)(=O)[O][Na])c2)c2cccc(S(=O)(=O)[O][Na])c2)c1
1 meas.
3D
#8004
Au(1)
donors: {"P": 1, "N": 2, "Cl": 1}
CC(C)(C)P(c1ccccc1-n1nc(-c2ccccc2)cc1-c1ccccc1)C(C)(C)C.[Cl-]
7 meas.
3D
#8003
Au(1)
donors: {"N": 2, "O": 6, "Br": 1}
CC[n+]1[c-]n(CCCCCOC(=O)/C=C/c2ccc(O)c(OC)c2)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[Br-]
2 meas.
3D
#8002
Au(1)
donors: {"N": 2, "F": 2}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[C-]#C[C]12->[Fe+2]3456789(<-[CH-]%10[C]3=[C]4[C]5=[C]%106)<-[CH-]([C]7=[C...
1 meas.
3D
#8001
Au(1)
donors: {"N": 2, "Cl": 1}
Cc1cccc(C)c1-n1[c-][n+](-c2c(C)cccc2C)c2c1-c1cccc3cccc-2c13.[Cl-]
8 meas.
3D
#8000
Au(1)
donors: {"P": 1, "N": 3}
Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.[N-]=[N+]=[N-]
3 meas.
3D
#7999
Ir(3)
donors: {"N": 3, "O": 1, "Cl": 3}
Cc1c(C)c(C)[c-](C)c1C.Cc1ccnc(-c2cc(CNC(=O)C(Cl)Cl)ccn2)c1.[Cl-]
4 meas.
3D
#7998
Au(3)
donors: {"N": 2, "O": 2}
CC(C)(N=Cc1ccccc1[O-])C(C)(C)N=Cc1ccccc1[O-]
4 meas.
3D
#7997
Au(3)
donors: {"N": 3}
[c-]1ccccc1-c1cccc(-c2[c-]cccc2)n1.[c-]1n(Cc2ccccc2)cc[n+]1Cc1ccccc1
4 meas.
3D
#7996
Au(1)
donors: {"O": 4, "N": 2, "F": 1, "Cl": 1}
COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)[n+](C)[c-]n2C)cc1F.[Cl-]
5 meas.
3D
#7995
Au(3)
donors: {"N": 4, "S": 5}
CN(C)C(=S)[S-].CN(C)C(=S)[S-].[S-]c1ncccn1
1 meas.
3D
#7994
Au(1)
donors: {"N": 2, "F": 2, "O": 1, "Cl": 1}
CCn1[c-][n+](CC)c(-c2cc(F)cc(F)c2)c1-c1ccc(OC)cc1.[Cl-]
2 meas.
3D
#7993
Au(1)
donors: {"O": 1, "S": 1, "N": 2}
CC(=O)[S-].CC(C)n1[c-][n+](C(C)C)c2ccccc21
1 meas.
3D
#7992
Au(1)
donors: {"N": 9, "O": 2}
Cc1cc(C)c(-c2[c-][n+](-c3c(C)cc(C)cc3C)nn2C)c(C)c1.Cc1cc(C)c(-c2[c-][n+](-c3c(C)cc(C)cc3C)nn2CCCCCCn2nncc2[C@@]2(O)CC[C@...
4 meas.
3D
#7991
Au(1)
donors: {"N": 2, "O": 3, "S": 1, "P": 1}
C[C@@H](NC(=O)c1cccnc1[S-])C(=O)O.c1ccc(P(c2ccccc2)c2ccccc2)cc1
4 meas.
3D
#7990
Au(3)
donors: {"N": 6}
Cc1[c-]c(-c2ccccn2)ccc1.N=C(N)N=C([NH-])Nc1ccccc1
3 meas.
3D
#7989
Au(1)
donors: {"N": 4}
Cn1[c-][n+](Cc2ccccc2)cc1.Cn1[c-][n+](Cc2ccccc2)cc1
3 meas.
3D
#7988
Au(1)
donors: {"O": 5, "N": 2}
COc1cc(O)c(C(C)=O)cc1C[n+]1[c-]n(C)cc1.[C-]#Cc1ccc(OCCOC)cc1
2 meas.
3D
#7987
Au(3)
donors: {"N": 1, "S": 2}
CC(C)(C)c1c[c-]c(-c2[c-]cc(C(C)(C)C)cc2)cc1.CCN(CC)C(=S)[S-]
6 meas.
3D
#7986
Au(3)
donors: {"O": 2, "N": 3}
CC(=O)[N-]c1ccccc1[N-]C(C)=O.CN(C)Cc1[c-]cccc1
1 meas.
3D
#7985
Ir(3)
donors: {"O": 4, "N": 8, "Cl": 4}
O=C(OCc1ccnc(-c2cc(COC(=O)c3nn(Cc4ccc(Cl)cc4Cl)c4ccccc34)ccn2)c1)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12.[c-]1ccccc1-c1ccccn1.[c-...
5 meas.
3D
#7984
Au(1)
donors: {"N": 2, "O": 4, "F": 2, "Br": 1}
CC[n+]1[c-]n(CCCCOC(=O)/C=C/c2ccc(O)c(OC)c2)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[Br-]
2 meas.
3D
#7983
Au(3)
donors: {"N": 4, "S": 1, "Cl": 2}
N=C([S-])N1N=C(c2ccccn2)CC1c1ccccc1Cl.[Cl-]
2 meas.
3D
#7982
Au(1)
donors: {"P": 1, "N": 4}
CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1
2 meas.
3D
#7981
Ir(3)
donors: {"O": 2, "N": 5, "S": 3, "F": 3}
COC(=O)c1ccc2c(c1)nc(-c1nc3ccccc3s1)n2Cc1ccc(C(F)(F)F)cc1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
4 meas.
3D
#7980
Au(3)
donors: {"O": 1, "N": 1}
OCc1cc(-c2[c-]cccc2)nc(-c2[c-]cccc2)c1.[H-]
13 meas.
3D
#7979
Au(1)
donors: {"N": 4, "O": 8}
Cn1[c-][n+](Cc2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1.Cn1[c-][n+](Cc2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)cc1
1 meas.
3D
#7978
Au(1)
donors: {"N": 2, "O": 7, "P": 1}
CCn1[c-][n+](CC)c(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.[C-]#CCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@...
3 meas.
3D
#7977
Au(1)
donors: {"N": 2, "S": 4, "O": 9, "P": 1}
Cc1cc(C)nc([S-])n1.O=S(=O)([O-])c1cccc(P(c2cccc(S(=O)(=O)[O-])c2)c2cccc(S(=O)(=O)[O-])c2)c1
2 meas.
3D
#7976
Au(3)
donors: {"N": 8}
CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1.CN(C)c1ccncc1
5 meas.
3D
#7975
Au(3)
donors: {"N": 3, "S": 2}
CN(C)C(=S)[S-].Cc1cccc(-c2cccc(C)n2)n1
5 meas.
3D
#7974
Au(1)
donors: {"N": 2, "Cl": 1}
CCCC[n+]1[c-]n(C)cc1.[Cl-]
6 meas.
3D
#7973
Au(1)
donors: {"N": 2, "F": 2}
CCn1[c-][n+](CC)c(-c2ccc(F)cc2)c1-c1ccc(F)cc1.[C-]#Cc1ccc(C(C)(C)C)cc1
1 meas.
3D
#7972
Au(1)
donors: {"N": 2, "Cl": 3}
CC(C)c1cccc(C(C)C)c1-n1c(Cl)c(Cl)n(-c2c(C(C)C)cccc2C(C)C)c1=[Se].[Cl-]
7 meas.
3D
#7971
Au(1)
donors: {"N": 4, "P": 1}
CN(C)c1cccc(N(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.Cc1ccnc2c1ccc1cccnc12
2 meas.
3D
#7970
Au(3)
donors: {"S": 2, "O": 4, "N": 4}
Cc1ccc(S(=O)(=O)[N-]CC[N-]S(=O)(=O)c2ccc(C)cc2)cc1.[c-]1ccccc1Nc1ccccn1
1 meas.
3D
#7969
Au(1)
donors: {"O": 2, "N": 2, "S": 1}
CCO[C@H]1[C@H](OCC)[N+](c2c(C(C)C)cccc2C(C)C)=[C-]N1c1c(C(C)C)cccc1C(C)C.[S-]c1ccccc1
4 meas.
3D
#7968
Au(1)
donors: {"N": 5, "Cl": 1}
Cn1[c-][n+](C)cc1-c1cn(Cc2ccccc2)nn1.[Cl-]
3 meas.
3D
#7967
Au(1)
donors: {"N": 4, "P": 1}
[C-]#Cc1ccccn1.c1ccc(P(c2ccccc2)c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1
3 meas.
3D
#7966
Au(1)
donors: {"N": 2, "O": 3}
CCn1[c-][n+](CC)c2ccc(OC)cc21.[C-]#CC1(O)CCC2C3CCc4cc(OC)ccc4C3CCC21C
4 meas.
3D
#7965
Au(3)
donors: {"O": 4, "N": 2}
COc1ccc2ccc([O-])c(/C=N/[C@H]3CCCC[C@H]3/N=C/c3cccc(OC)c3[O-])c2c1
3 meas.
3D
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29/189 (9414 total)